1-Methylheptyl cyclopent-2-ene-1-acetate

CAS

93981-12-5

Catalog Number

ACM93981125

Category

Other Products

Molecular Weight

238.365740 [g/mol]

Molecular Formula

C₁₅H₂₆O₂

MSDS COA Spec Sheet

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Specification

Synonyms

EINECS 301-094-9, CID175576, 1-Methylheptyl cyclopent-2-ene-1-acetate, 2-Cyclopentene-1-acetic acid, 1-methylheptyl ester, 93981-12-5

IUPAC Name

octan-2-yl 2-cyclopent-2-en-1-ylacetate

Canonical SMILES

CCCCCCC(C)OC(=O)CC1CCC=C1

InChI Key

DGKKEXMAGIKVTE-UHFFFAOYSA-N

Boiling Point

302.1ºC at 760mmHg

Flash Point

95.6ºC

Density

0.932g/cm³

EC Number

301-094-9

Exact Mass

238.19300

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of 1-Methylheptyl cyclopent-2-ene-1-acetate?

The molecular formula is C15H26O2.

What is the molecular weight of 1-Methylheptyl cyclopent-2-ene-1-acetate?

The molecular weight is 238.37 g/mol.

What is the IUPAC name of 1-Methylheptyl cyclopent-2-ene-1-acetate?

The IUPAC name is octan-2-yl 2-cyclopent-2-en-1-ylacetate.

What is the InChIKey of 1-Methylheptyl cyclopent-2-ene-1-acetate?

The InChIKey is DGKKEXMAGIKVTE-UHFFFAOYSA-N.

How many hydrogen bond acceptor counts does 1-Methylheptyl cyclopent-2-ene-1-acetate have?

It has 2 hydrogen bond acceptor counts.

What is the XLogP3-AA value of 1-Methylheptyl cyclopent-2-ene-1-acetate?

The XLogP3-AA value is 4.8.

What is the topological polar surface area of 1-Methylheptyl cyclopent-2-ene-1-acetate?

The topological polar surface area is 26.3 Å².

How many rotatable bond counts does 1-Methylheptyl cyclopent-2-ene-1-acetate have?

It has 9 rotatable bond counts.

Is 1-Methylheptyl cyclopent-2-ene-1-acetate a canonicalized compound?

Yes, it is a canonicalized compound.

What is the CAS number of 1-Methylheptyl cyclopent-2-ene-1-acetate?

The CAS number is 93981-12-5.

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